ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate

C15H18N2O3 — CID 13164660

IUPACethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate
SMILESCCOC(=O)CC1C=CNC(=O)N1c1ccc(C)cc1
InChIInChI=1S/C15H18N2O3/c1-3-20-14(18)10-13-8-9-16-15(19)17(13)12-6-4-11(2)5-7-12/h4-9,13H,3,10H2,1-2H3,(H,16,19)
InChIKeyGESSMOPQZZHANF-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.36
Rot. Bonds4

About ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate

ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate (PubChem CID 13164660) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate
PubChem CID13164660
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate
SMILESCCOC(=O)CC1C=CNC(=O)N1c1ccc(C)cc1
InChIInChI=1S/C15H18N2O3/c1-3-20-14(18)10-13-8-9-16-15(19)17(13)12-6-4-11(2)5-7-12/h4-9,13H,3,10H2,1-2H3,(H,16,19)
InChIKeyGESSMOPQZZHANF-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate?
The IUPAC name of ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate (CID 13164660) is ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate is CCOC(=O)CC1C=CNC(=O)N1c1ccc(C)cc1.
What is the InChIKey of ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate?
The InChIKey is GESSMOPQZZHANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-20-14(18)10-13-8-9-16-15(19)17(13)12-6-4-11(2)5-7-12/h4-9,13H,3,10H2,1-2H3,(H,16,19).
What are the key properties of ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate?
ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate has a molecular weight of 274.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate is sourced from PubChem (CID 13164660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).